tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate

C10H18N2O4 — CID 72974214

IUPACtert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC(O)C1CN
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-6(5-11)7(13)4-8(12)14/h6-7,13H,4-5,11H2,1-3H3
InChIKeyHWOLSKMJQWFHRT-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.16
Rot. Bonds1

About tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate

tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate (PubChem CID 72974214) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate
PubChem CID72974214
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nametert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC(O)C1CN
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-6(5-11)7(13)4-8(12)14/h6-7,13H,4-5,11H2,1-3H3
InChIKeyHWOLSKMJQWFHRT-UHFFFAOYSA-N
XLogP-0.16
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S,4R)-4-hydroxy-2-methyl-6-oxopiperidine-1-carboxylate
CID 102357347
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 53253789
tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
tert-butyl (2S,3S)-3-hydroxy-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 142524678
tert-butyl (2R)-2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 124704515
tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 14686213
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
3-amino-2-(aminomethyl)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxo-2,3-dihydropyridine-5-carboxylic acid
CID 155383082
tert-butyl (3R,5R)-3-hydroxy-5-methyl-2-oxopyrrolidine-1-carboxylate
CID 10976837
tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
CID 95898027
tert-butyl (3S)-3-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 86276472
tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate
CID 144774292

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate (CID 72974214) is tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC(O)C1CN.
What is the InChIKey of tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The InChIKey is HWOLSKMJQWFHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-6(5-11)7(13)4-8(12)14/h6-7,13H,4-5,11H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate has a molecular weight of 230.26 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 72974214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).